This is the first time that a novel anode material, spinel Li4Ti5O12 which is well known as a ＂zero-strain＂ anode material for lithium storage, has been introduced for sodium-ion battery. The Li4Ti5O12 shows an aver...This is the first time that a novel anode material, spinel Li4Ti5O12 which is well known as a ＂zero-strain＂ anode material for lithium storage, has been introduced for sodium-ion battery. The Li4Ti5O12 shows an average Na storage voltage of about 1.0 V and a reversible capacity of about 145 mAh/g, thereby making it a promising anode for sodiumion battery. Ex-situ X-ray diffraction （XRD） is used to investigate the structure change in the Na insertion/deinsertion process. Based on this, a possible Na storage mechanism is proposed.展开更多
This paper studies the structure and electronic properties of Li4Ti5O12, as anode material for lithium ion batteries, from first principles calculations. The results suggest that there are two kinds of unit cell of Li...This paper studies the structure and electronic properties of Li4Ti5O12, as anode material for lithium ion batteries, from first principles calculations. The results suggest that there are two kinds of unit cell of Li4Ti5O12： n-type and p-type. The two unit cells have different structures and electronic properties： the n-type with two 16d site Li ions is metallic by electron, while the p-type with three 16d Li ions is metallic by hole. However, the Li4Ti5O12 is an insulator. It is very interesting that one n-type cell and two p-type cells constitute one Li4Ti5O12 supercell which is insulating. The results show that the intercalation potential obtained with a p-type unit cell with one additional electron is quite close to the experimental value of 1.5 V.展开更多
1 Results Nanostructured spinel-type Li4Ti5O12 (LTO) was prepared using Lewis acid base reaction technique involving a mixture of titanium β-diketonate and lithium nitrate as starting materials in the presence of aqu...1 Results Nanostructured spinel-type Li4Ti5O12 (LTO) was prepared using Lewis acid base reaction technique involving a mixture of titanium β-diketonate and lithium nitrate as starting materials in the presence of aqueous citric acid as a solvolysis agent. The above method yielded a simple single step process without involving sol to gel conversion. The phase purity of the synthesized product after calcining at 800 ℃ for 24 h in air showed a spinel structure without any residual impurities. The nanostru...展开更多
基金supported by the National High Technology Research and Development Program of China (Grant No.2009AA033101)the National Basic Research Program of China (Grant No.2010CB833102)+2 种基金the National Natural Science Foundation of China (Grant No.50972164)the Chinese Academy of Sciences Project (Grant No.KJCX2-YW-W26)the Hundred-Talent Project of the Chinese Academy of Sciences
文摘This is the first time that a novel anode material, spinel Li4Ti5O12 which is well known as a ＂zero-strain＂ anode material for lithium storage, has been introduced for sodium-ion battery. The Li4Ti5O12 shows an average Na storage voltage of about 1.0 V and a reversible capacity of about 145 mAh/g, thereby making it a promising anode for sodiumion battery. Ex-situ X-ray diffraction （XRD） is used to investigate the structure change in the Na insertion/deinsertion process. Based on this, a possible Na storage mechanism is proposed.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10604023 and 50802089)Science Foundation of Department of Education of Jiangxi Province (Grant No 2007-121)+1 种基金supported by Qianjiang Talent Project(Grant No 2007R10028)Natural Science Foundation of Zhejiang Province (Grant No Y407188)
文摘This paper studies the structure and electronic properties of Li4Ti5O12, as anode material for lithium ion batteries, from first principles calculations. The results suggest that there are two kinds of unit cell of Li4Ti5O12： n-type and p-type. The two unit cells have different structures and electronic properties： the n-type with two 16d site Li ions is metallic by electron, while the p-type with three 16d Li ions is metallic by hole. However, the Li4Ti5O12 is an insulator. It is very interesting that one n-type cell and two p-type cells constitute one Li4Ti5O12 supercell which is insulating. The results show that the intercalation potential obtained with a p-type unit cell with one additional electron is quite close to the experimental value of 1.5 V.
文摘1 Results Nanostructured spinel-type Li4Ti5O12 (LTO) was prepared using Lewis acid base reaction technique involving a mixture of titanium β-diketonate and lithium nitrate as starting materials in the presence of aqueous citric acid as a solvolysis agent. The above method yielded a simple single step process without involving sol to gel conversion. The phase purity of the synthesized product after calcining at 800 ℃ for 24 h in air showed a spinel structure without any residual impurities. The nanostru...
